5ST3

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C09 from the F2X-Universal Library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.765, 82.060, 93.560
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.740 - 1.470
R-factor	0.211
Rwork	0.211
R-free	0.23130
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.740	44.740	44.740
High resolution limit [Å]	1.470	4.380	1.470
Rmerge		0.033	2.985
Rmeas	0.059	0.035	3.218
Total number of observations	750381	29111	117059
Number of reflections	106650	4171	16710
<I/σ(I)>	12.53	52.95	0.32
Completeness [%]	98.1	99.2	95.4
Redundancy	7.04	6.98	7.01
CC(1/2)	0.999	0.999	0.315

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate